1-Phenylicosane-1,3-dione

• CAT Number: L045439
• CAS Number: 58446-52-9
• Molecular Formula: C26H42O2
• Molecular Weight: 386.61
• Purity: ≥95%
• IUPAC Name: 1-phenylicosane-1,3-dione
• InChI: InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3
• InChIKey: LRQGFQDEQPZDQC-UHFFFAOYSA-N
• SMILES: CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1

1-Phenylicosane-1,3-dione(CAT: L045439) is a long-chain β-diketone bearing a phenyl group at the terminal position of a 20-carbon aliphatic backbone. This compound features two carbonyl groups at the 1 and 3 positions, enabling keto-enol tautomerism and metal-chelating activity. Its structural combination of a hydrophobic alkyl chain and a reactive diketone moiety makes it useful in the synthesis of coordination complexes, surface-modifying agents, and lipophilic ligands. It can serve as a model compound in studies involving self-assembled monolayers, molecular recognition, and organic-inorganic hybrid materials. Its unique architecture also allows exploration in supramolecular chemistry and functional materials design.